(2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(5-benzyloxy-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(4-ethyl-1-piperazin-1-iumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(5-benzoxy-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H27N3O3/c1-2-25-10-12-26(13-11-25)22(23(27)28)20-15-24-21-9-8-18(14-19(20)21)29-16-17-6-4-3-5-7-17/h3-9,14-15,22,24H,2,10-13,16H2,1H3,(H,27,28)/t22-/m0/s1